DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:20 UTC
Update Date	2025-03-25 00:51:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186086
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₁N₇O₂₀P₄
Molecular Mass	813.0574
SMILES	Nc1ncnc2c1ncn2C1OC(CO[PH](O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(CP(=O)(O)O)C1O
InChI Key	QWATZEDIZOEKRI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 3'-deoxyribonucleosides purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound organic pyrophosphate oxacycle purine 3'-deoxyribonucleoside pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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